2-(1-adamantyl)-N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[(6-butyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[(6-butyl-1,3-benzothiazol-2-yl)thiocarbamoyl]acetamide Formula: C24H31N3OS2 MolecularWeight: 441.65244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H31N3OS2/c1-2-3-4-15-5-6-19-20(10-15)30-23(25-19)27-22(29)26-21(28)14-24-11-16-7-17(12-24)9-18(8-16)13-24/h5-6,10,16-18H,2-4,7-9,11-14H2,1H3,(H2,25,26,27,28,29)